In-Silico Structure Database (LMISSD)
Common Name
PE(11:0/20:4(5Z,8Z,12E,14Z)(11OH[S]))
Systematic Name
1-undecanoyl-2-(11S-HETE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AC2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
685.431872
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
NNXOJAWFEYUELA-TVDJHBAHSA-N
InChi (Click to copy)
InChI=1S/C36H64NO9P/c1-3-5-7-9-11-15-19-23-27-35(39)43-31-34(32-45-47(41,42)44-30-29-37)46-36(40)28-24-20-16-12-14-18-22-26-33(38)25-21-17-13-10-8-6-4-2/h12-13,16-18,21-22,25,33-34,38H,3-11,14-15,19-20,23-24,26-32,37H2,1-2H3,(H,41,42)/b16-12-,17-13-,22-18-,25-21+/t33-,34-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O